8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxychromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-7-hydroxy-chromone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C23H22N2O3S/c26-19-10-9-15-21(27)17(23-24-18-7-3-4-8-20(18)29-23)14-28-22(15)16(19)13-25-11-5-1-2-6-12-25/h3-4,7-10,14,26H,1-2,5-6,11-13H2/p+1